Information card for entry 4066876

Structure parameters

• Formula: C35 H48 B Cl2 F4 N3 Os
• Calculated formula: C35 H48 B Cl2 F4 N3 Os
• SMILES: [Os]123456([NH3])(=C7N(C=CN7c7c(C(C)C)cccc7C(C)C)c7c1cccc7C(C)C)[c]1(C(C)C)[cH]2[cH]3[c]4(C)[cH]5[cH]61.ClCCl.[B](F)(F)(F)[F-]
• Title of publication: C−C Bond Activation of the NHC Ligand of an Osmium−Amido Complex
• Authors of publication: Bolaño, Tamara; Buil, María L.; Esteruelas, Miguel A.; Izquierdo, Susana; Lalrempuia, Ralte; Oliván, Montserrat; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4517
• a: 12.629 ± 0.0011 Å
• b: 12.2917 ± 0.0011 Å
• c: 23.44 ± 0.002 Å
• α: 90°
• β: 101.213 ± 0.001°
• γ: 90°
• Cell volume: 3569.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No